[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone

C23H32N6O3S — CID 100628343

IUPAC[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1
InChIInChI=1S/C23H32N6O3S/c30-22(29-13-15-32-16-14-29)28-7-4-23(31,5-8-28)19-18-33-21(25-19)17-26-9-11-27(12-10-26)20-3-1-2-6-24-20/h1-3,6,18,31H,4-5,7-17H2
InChIKeyWMCBLAQVHSDWTQ-UHFFFAOYSA-N
MW472.62 g/mol
LogP1.60
Rot. Bonds4

About [4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone

[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 100628343) has the molecular formula C23H32N6O3S and a molecular weight of 472.62 g/mol. Its IUPAC name is [4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID100628343
Molecular FormulaC23H32N6O3S
Molecular Weight472.62 g/mol
Exact Mass472.23
IUPAC Name[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1
InChIInChI=1S/C23H32N6O3S/c30-22(29-13-15-32-16-14-29)28-7-4-23(31,5-8-28)19-18-33-21(25-19)17-26-9-11-27(12-10-26)20-3-1-2-6-24-20/h1-3,6,18,31H,4-5,7-17H2
InChIKeyWMCBLAQVHSDWTQ-UHFFFAOYSA-N
XLogP1.60
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]hexan-1-one
CID 100648176
1-[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 100628365
morpholin-4-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 97450345
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
CID 15992231
1-morpholin-4-yl-2-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 175648113
N-(4-fluorophenyl)-4-hydroxy-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidine-1-carboxamide
CID 100646138
[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109133323
1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71866921
N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 117085603
morpholin-4-yl-[6-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]methanone
CID 135111291
morpholin-4-yl-[5-(4-pyridin-2-ylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109276440

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 100628343) is [4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCC(O)(c2csc(CN3CCN(c4ccccn4)CC3)n2)CC1.
What is the InChIKey of [4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is WMCBLAQVHSDWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O3S/c30-22(29-13-15-32-16-14-29)28-7-4-23(31,5-8-28)19-18-33-21(25-19)17-26-9-11-27(12-10-26)20-3-1-2-6-24-20/h1-3,6,18,31H,4-5,7-17H2.
What are the key properties of [4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
[4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 472.62 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-[2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 100628343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).